UCSF

ZINC19939692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 8.1 -8.82 0 5 0 40 371.868 6
Mid Mid (pH 6-8) 3.61 8.49 -33.88 1 5 1 41 372.876 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )